3-nitro-4-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]-3-nitro-benzamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c22-21(26)14-6-11-19(18(12-14)24(27)28)30-13-20(25)23-15-7-9-17(10-8-15)29-16-4-2-1-3-5-16/h1-12H,13H2,(H2,22,26)(H,23,25)